2-Iodobutane
Properties
- Molecular formula
- C4H9I
- Molar mass
- 184.02 g/mol
- Exact mass
- 183.9749 Da
- Density
- 1.585 g/mL (at 20 °C)
- Melting point
- −104 °C
- Boiling point
- 120 °C
- logP
- 2.22Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor11.4% of notifiers
- H226 Flammable liquid and vapor88.6% of notifiers
- H315 Causes skin irritation97.7% of notifiers
- H319 Causes serious eye irritation97.7% of notifiers
- H335 May cause respiratory irritation95.5% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
513-48-4SMILES
CCC(C)IInChIKey
IQRUSQUYPCHEKN-UHFFFAOYSA-NInChI
InChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Butane, 2-iodo-
- sec-Butyl iodide
- sec-Iodobutane
- 2-Butyl iodide
- (±)-2-Iodobutane
- NSC 8422
Work with 2-Iodobutane
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,4-Dimethylhexane583-48-239 % similar
Isopentane78-78-439 % similar
3-Methylpentane96-14-039 % similar
(S)-(+)-1-Iodo-2-methylbutane29394-58-936 % similar
3-Ethyl-2-methylpentane609-26-735 % similar
3,5-Dimethylheptane926-82-935 % similar
(-)-sec-Butylamine13250-12-933 % similar
sec-Butylamine13952-84-633 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.